4-[(4-Oxopiperidin-1-yl)methyl]benzonitrile

Base Information

Chemical Name:4-[(4-Oxopiperidin-1-yl)methyl]benzonitrile
CAS No.:1016863-24-3
Molecular Formula:C₁₃H₁₄N₂O
Molecular Weight:214.267
Hs Code.:
European Community (EC) Number:835-377-8
ChEMBL ID:CHEMBL4571830
Mol file:1016863-24-3.mol

Synonyms:4-[(4-oxopiperidin-1-yl)methyl]benzonitrile;1016863-24-3;CHEMBL4571830;SCHEMBL12625995;AKOS000191770;EN300-53570;Z54749059

Suppliers and Price of 4-[(4-Oxopiperidin-1-yl)methyl]benzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-[(4-Oxopiperidin-1-yl)methyl]benzonitrile
250mg
$ 265.00

TRC
4-[(4-Oxopiperidin-1-yl)methyl]benzonitrile
50mg
$ 65.00

AK Scientific
4-[(4-Oxopiperidin-1-yl)methyl]benzonitrile
10g
$ 1586.00

Total 1 raw suppliers

Chemical Property of 4-[(4-Oxopiperidin-1-yl)methyl]benzonitrile

Chemical Property:

Boiling Point:384.3±32.0 °C(Predicted)
PKA:6.63±0.20(Predicted)
Density:1.16±0.1 g/cm3(Predicted)
XLogP3:0.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:214.110613074
Heavy Atom Count:16
Complexity:286

Purity/Quality:: 4-[(4-Oxopiperidin-1-yl)methyl]benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CN(CCC1=O)CC2=CC=C(C=C2)C#N

Technology Process of 4-[(4-Oxopiperidin-1-yl)methyl]benzonitrile

There total 3 articles about 4-[(4-Oxopiperidin-1-yl)methyl]benzonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 887593-88-6
1-(4-cyanobenzyl)piperidin-4-ol

: 1016863-24-3
4-(4-Oxo-piperidin-1-ylmethyl)-benzonitrile

Guidance literature:: With pyridine; dicyclohexyl-carbodiimide; trifluoroacetic acid; In dichloromethane; dimethyl sulfoxide;
DOI:10.1016/0960-894X(96)00373-3

Reference yield:

: 5382-16-1
4-HYDROXYPIPERIDINE

: 1016863-24-3
4-(4-Oxo-piperidin-1-ylmethyl)-benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 97 percent / DIEA / tetrahydrofuran

2: DMSO; DCC; TFA / pyridine / benzene / 24 h / 20 °C

With dimethyl sulfoxide; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; pyridine; In tetrahydrofuran; benzene;
DOI:10.1021/jm020375q

Reference yield:

: 17201-43-3
4-cyanobenzyl bromide

: 1016863-24-3
4-(4-Oxo-piperidin-1-ylmethyl)-benzonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 97 percent / DIEA / tetrahydrofuran

2: DMSO; DCC; TFA / pyridine / benzene / 24 h / 20 °C

With dimethyl sulfoxide; N-ethyl-N,N-diisopropylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; pyridine; In tetrahydrofuran; benzene;
DOI:10.1021/jm020375q